4-(methylamino)adamantane-2,6-dione

C11H15NO2 — CID 551123

IUPAC4-(methylamino)adamantane-2,6-dione
SMILESCNC1C2CC3CC(CC1C3=O)C2=O
InChIInChI=1S/C11H15NO2/c1-12-9-7-3-5-2-6(11(7)14)4-8(9)10(5)13/h5-9,12H,2-4H2,1H3
InChIKeyKRJWKQWLKBFSII-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.39
Rot. Bonds1

About 4-(methylamino)adamantane-2,6-dione

4-(methylamino)adamantane-2,6-dione (PubChem CID 551123) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(methylamino)adamantane-2,6-dione.

Molecular Properties

Compound Name4-(methylamino)adamantane-2,6-dione
PubChem CID551123
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-(methylamino)adamantane-2,6-dione
SMILESCNC1C2CC3CC(CC1C3=O)C2=O
InChIInChI=1S/C11H15NO2/c1-12-9-7-3-5-2-6(11(7)14)4-8(9)10(5)13/h5-9,12H,2-4H2,1H3
InChIKeyKRJWKQWLKBFSII-UHFFFAOYSA-N
XLogP0.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,8-dioxo-2-adamantyl)acetamide
CID 544683
(1S,3S,5S,7S)-4-bromoadamantane-2,6-dione
CID 11139326
[(1R,3R,5S,7S)-4,8-dioxo-2-adamantyl] acetate
CID 101286872
bicyclo[1.1.1]pentan-2-one
CID 13356641
tert-butyl (1S,3S,5R,7R)-4,8-dioxoadamantane-2-carboxylate
CID 101281107
(8R)-3-(methylamino)bicyclo[6.1.0]nonan-2-one
CID 142060892
3,7-dimethylbicyclo[3.3.1]nonan-9-one
CID 101110552
dimethyl (1R,3S,5R,7S)-2,6-dioxobicyclo[3.3.1]nonane-3,7-dicarboxylate
CID 721750
(1S,5S)-adamantane-2,4-dione
CID 98117428
(1S,3R,5S,7S)-tricyclo[5.1.0.03,5]octane-2,6-dione
CID 98164011
2,5-dihydroxy-3-(methylamino)cyclopentan-1-one
CID 174282703
pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-3,10-dione
CID 78226067

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)adamantane-2,6-dione?
The IUPAC name of 4-(methylamino)adamantane-2,6-dione (CID 551123) is 4-(methylamino)adamantane-2,6-dione.
What is the SMILES notation for 4-(methylamino)adamantane-2,6-dione?
The canonical SMILES for 4-(methylamino)adamantane-2,6-dione is CNC1C2CC3CC(CC1C3=O)C2=O.
What is the InChIKey of 4-(methylamino)adamantane-2,6-dione?
The InChIKey is KRJWKQWLKBFSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-12-9-7-3-5-2-6(11(7)14)4-8(9)10(5)13/h5-9,12H,2-4H2,1H3.
What are the key properties of 4-(methylamino)adamantane-2,6-dione?
4-(methylamino)adamantane-2,6-dione has a molecular weight of 193.25 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)adamantane-2,6-dione is sourced from PubChem (CID 551123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).